Sharif Digital Repository

The aim of this study was to investigate the co-microencapsulation of Lactobacillus plantarum and DHA-rich oil in a novel gastrointestinal-resistant biocomposite composed of alginate, pectin and gelatin. The optimal biocomposite consisted of 1.06% alginate, 0.55% pectin and 0.39% gelatin showed 88.66% survivability of the microencapsulated cells compared to the free cells (50.36%). In addition, co-microencapsule containing probiotic and DHA fatty acid was synthesized and physicochemically analyzed using SEM, FTIR, TGA, XRD. The results from SEM clearly confirmed that cells were completely entrapped in the matrix and DHA increased smoothness and compactness of the surface of the particles.... 

Understanding the motion characteristics of fullerene clusters on the graphene surface is critical for designing surface manipulation systems. Toward this purpose, using the molecular dynamics method, we evaluated six clusters of fullerenes including 1, 2, 3, 5, 10, and 25 molecules on the graphene surface, in the temperature range of 25 to 500 K. First, the surface motion of clusters is studied at 200 K and lower temperatures, in which fullerenes remain as a single group. The trajectories of the motion as well as the diffusion coefficients indicate the reduction of surface mobility as a response to the increase of the fullerene number. The clusters show normal diffusion at the temperature... 

In this paper, the polymer chain of rotator (PCOR) equation of state (EOS) was used together with an EOS/GE mixing rule (MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers. The results of the proposed method compared with two equation of state (van der Waals and GC-Flory) and three activity coefficient models (UNIFAC, UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results. The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data... 

Carbon nanoscroll (CNS) is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions between the layers of CNS due to van der Waals forces are included in the model. The uniformly distributed translational and torsional springs along the boundaries are considered to achieve a unified solution for different boundary conditions. To study the vibration characteristics of CNS, total energy... 

This paper investigates the effect of dispersion (van der Waals and Casimir) forces on the pull-in instability of cantilever nano-actuators by considering their range of application. Adomian decomposition is introduced to obtain an analytical solution of the distributed parameter model. Dispersion forces decrease the pull-in deflection and voltage of a nano-actuator. However, the fringing field increases the pull-in deflection while decreasing the pull-in voltage of the actuator. The minimum initial gap and the detachment length of the actuator that does not stick to the substrate due to van der Waals and Casimir attractions were determined. Furthermore, the proposed approach is capable of... 

Adsorption of a methane molecule (CH 4) onto a defected and rippled graphene sheet is studied using ab initio and molecular mechanics calculations. The optimal adsorption position and orientation of this molecule on the graphene surface (motivated by the recent realization of graphene sensors to detect individual gas molecules) is determined and the adsorption energies are calculated. In light of the density of states, we used the SIESTA code. It is found that (i) classical force field yields adsorption energy comparable with experimental result and ab initio calculation; (ii) the periodic nature of the van der Waals potential energy stored between methane and perfect sheet is altered due to... 

A simple equation of state (EoS) has recently been introduced (J. Phys. Chem. B2009, 113, 11977-11987) as (Z - 1)v2 = e + f/ρ + gρ2, where Z ≡ pv/RT is the compressibility factor, v = 1/ρ is molar volume, and e, f, and g are temperature dependent parameters. This EoS has been found to be accurate for all types of nano and bulk solids and bulk fluids, in the entire temperature and pressure ranges for which experimental data are reported, except for the isotherms within 1 ≤ T r = T/Tc ≤ 1.1 for the spherical and near spherical species and for a wider temperature range for the cylindrical molecules. The aim of this work is to investigate the validity of a three-term expression similar to the... 

A general regularity was found based on an effective pair potential of Lennard-Jones LJ (12, 6), for both dense, nonmetallic and nonionic fluids and solids according to which (Z-1) v2 linearly varies with respect to ρ2 for each isotherm, and this equation of state (EoS I) is known as LIR. However, despite the fact that Ne is a simple spherical species, unexpectedly, its solid and liquid phases both show a significant deviation from EoS I. In this work, we have investigated the accuracy of the EoS I for other systems, including quantum light molecules, such as D 2, H 2 and He, in both fluid and solid states at different temperatures. Like Ne, we have noticed that these systems do not well... 

Structural, microstructural and mechanical properties in roll bonding of AA5052 and polypropylene sheets have been evaluated in this study. The surface roughness of the AA5052 sheets, rolling temperature and the surface energy of polymer were selected as the bonding variables. The findings indicated that an increase in the surface energy of polypropylene by grafting maleic anhydride would result in higher bonding strength due to chemical interaction between the AA5052 and the maleic anhydride grafted polypropylene (PP-g-MAH). In fact, this reaction caused the formation of an interphase layer at the polymer side of the interface and the diffusion of aluminum into the PP-g-MAH layer. It was... 

Structural, microstructural and mechanical properties in roll bonding of AA5052 and polypropylene sheets have been evaluated in this study. The surface roughness of the AA5052 sheets, rolling temperature and the surface energy of polymer were selected as the bonding variables. The findings indicated that an increase in the surface energy of polypropylene by grafting maleic anhydride would result in higher bonding strength due to chemical interaction between the AA5052 and the maleic anhydride grafted polypropylene (PP-g-MAH). In fact, this reaction caused the formation of an interphase layer at the polymer side of the interface and the diffusion of aluminum into the PP-g-MAH layer. It was... 

The structural instability of an array of cantilevers, each of which interacts with two neighbouring beams through electrostatic and van der Waals forces, is studied. Distributed and lumped parameter modelling of the array result in a set of coupled nonlinear boundary value problems and a set of coupled nonlinear equations, respectively. These coupled nonlinear systems are solved numerically for different numbers of beams in the array to obtain the pull-in parameters. The pull-in parameters converge to constant values with an increase in the number of beams in the array. These constants, which are important in the design of cantilever arrays, are compared for the distributed and lumped... 

In this paper the two-point boundary value problem (BVP) of the cantilever deflection at nano-scale separations subjected to van der Waals and electrostatic forces is investigated using analytical and numerical methods to obtain the instability point of the beam. In the analytical treatment of the BVP, the nonlinear differential equation of the model is transformed into the integral form by using the Green's function of the cantilever beam. Then, closed-form solutions are obtained by assuming an appropriate shape function for the beam deflection to evaluate the integrals. In the numerical method, the BVP is solved with the MATLAB BVP solver, which implements a collocation method for... 

In this paper, a distributed parameter model is used to study the pull-in instability of cantilever type nanomechanical switches subjected to intermolecular and electrostatic forces. In modeling of the electrostatic force, the fringing field effect is taken into account. The model is nonlinear due to the inherent nonlinearity of the intermolecular and electrostatic forces. The nonlinear differential equation of the model is transformed into the integral form by using the Green's function of the cantilever beam. Closed-form solutions are obtained by assuming an appropriate shape function for the beam deflection to evaluate the integrals. The pull-in parameters of the switch are computed under... 

In this paper, the influence of the van der Waals force on two main parameters describing an instability point of cantilever type nanomechanical switches, which are the pull-in voltage and deflection are investigated by using a distributed parameter model. The fringing field effect is also taken into account. The nonlinear differential equation of the model is transformed into the integral form by using the Green's function of the cantilever beam. The integral equation is solved analytically by assuming an appropriate shape function for the beam deflection. The detachment length and the minimum initial gap of the cantilever type switches are given, which are the basic design parameters for... 

In this paper, the influence of the van der Waals force on two main parameters describing an instability point of cantilever type nanomechanical switches, which are the pull-in voltage and deflection are investigated by using a distributed parameter beam model. The nonlinear differential equation of the model is transformed into the integral form by using the Green's function of the cantilever beam. The integral equation is solved analytically by assuming an appropriate shape function for the beam deflection. The detachment length and the minimum initial gap of the cantilever type switches are given, which are the basic design parameters for NEMS switches. The pull-in parameters of... 

Van der Waals (vdW) heterostructures of two-dimensional monolayers are a relatively new class of materials with highly tunable band alignment, bandgap energy, and bandgap transition type. In this study, we performed density functional theory calculations to investigate how a vdW heterostructure of heptazine-based graphitic carbon nitride (hg-C3N4) and graphitic zinc oxide (g-ZnO) monolayers is formed (hg-C3N4/g-ZnO). This heterostructure is a potential solar-driven photocatalyst for the water-splitting reaction. Upon the formation of the heterostructure, a type-I indirect bandgap (Eg = 2.08 eV) is created with appropriate conduction band minimum and valence band maximum levels relative to... 

In this work, two "classical" (UNIFAC-FV, Entropic-FV) and two "recent" free-volume (FV) models (Kannan-FV, Freed-FV) are comparatively evaluated for polymer-solvent vapor-liquid equilibria including both aqueous and non-aqueous solutions. Moreover, some further developments are presented here to improve the performance of a recent model, the so-called Freed-FV. First, we propose a modification of the Freed-FV model accounting for the anomalous free-volume behavior of aqueous systems (unlike the other solvents, water has a lower free-volume percentage than polymers). The results predicted by the modified Freed-FV model for athermal and non-athermal polymer systems are compared to other... 

In this work, a green synthesis method was designed and practiced to develop bioactive and biocompatible carbon-based nanocomposites biomaterials. ZnO nanoparticles were synthesized in assistance of leaf extracts and added to a composite nanostructure composed of the reduced graphene oxide (rGO) and multi-walled carbon nanotubes (MWCNT). The resulting green nanocomposite revealed ability to make π-π interactions, hydrogen bonding, and van der Waals interactions with the doxorubicin (DOX). Then, the surface morphology of the synthesized nanocomposite was investigated, and the interrelationship between the surface morphology, relative cell viability, and drug uptake and release behavior were... 

Models capable of accurate simulation of the microcantilever dynamics coupled with complex tip-sample interactions are essential for interpretation of the imaging results in non-contact atomic force microscopy (AFM). In the present research, a combination of finite element and molecular dynamics methods are used for modelling the AFM system to overcome the drawbacks of conventional approaches that use a lumped system with van der Waals interaction. To illustrate the ability of the proposed scheme in providing images with atomic resolution, some simulations have been performed. In the conducted simulations, a diamond tip is interacting with nickel samples having different surface plane... 

Atomic force microscopes (AFM) can image and manipulate sample properties at the atomic scale. The non-contact mode of AFM offers unique advantages over other contemporary scanning probe techniques, especially when utilized for reliable measurements of soft samples (e.g., biological species). The distance between cantilever tip and sample surface is a time varying parameter even for a fixed sample height, and hence, difficult to identify. A remedy to this problem is to directly identify the sample height in order to generate high precision, atomic-resolution images. For this, the microcantilever is modeled by a single mode approximation and the interaction between the sample and cantilever...